Glycoside
GD121213
Name:
5-(3,5-dihydroxy-2,4-dimethyloxolan-2-yl)-6-(hexa-2,4-dienoyl)-3,7-dihydroxy-8-(1-hydroxyhexa-2,4-dien-1-yl)-1,3-dimethylbicyclo[2.2.2]octan-2-oneFormula:
C28H40O8Smiles:
CC=CC=CC(=O)C1C(C2(C)OC(O)C(C)C2O)C2C(C(O)C=CC=CC)C(O)C1(C)C(=O)C2(C)OAglycone:
CC=CC=CC(=O)C1CC2C(C(O)C=CC=CC)C(O)C1(C)C(=O)C2(C)OSugarmoiety:
CC1C(O)OC(C)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD48766
Formula: C22H30O5
Smiles:
CC=CC=CC(=O)C1CC2C(C(O)C=CC=CC)C(O)C1(C)C(=O)C2(C)O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.48 | Num_heavy_atoms: | 27 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
